SCHEMBL6858889

SCHEMBL6858889

COc1ccc2c(c1)CCC=C2c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.57
ELANE P08246 1/20 0.57
PTPN1 P18031 1/20 0.51
ESR1 P03372 2/20 0.48
MIF P14174 1/20 0.47
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP27A1 Q02318 3/20 0.43
CYP24A1 Q07973 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BACE1 P56817 2/20 0.43
CYP26A1 O43174 1/20 0.43
MAPK14 Q16539 1/20 0.43
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4802603 0.91 MPO (0.60) MPOELANEESR1ALDH1A1LMNA
SCHEMBL14267917 0.87 MPO (0.56) MPOELANEMAPTACHENPC1
SCHEMBL23297253 0.86 MPO (0.50) MPOELANEESR1EBPSIGMAR1
SCHEMBL31414398 0.84 CYP3A4 (0.58) MPOELANEPTPN1ESR1MIF
SCHEMBL3785482 0.82 MPO (0.55) MPOELANEEBPSIGMAR1MAPT
SCHEMBL7633335 0.82 MPO (0.51) MPOELANEMIFMAPTSMN1; SMN2
SCHEMBL6789105 0.81 PTPN1 (0.46) MPOELANEPTPN1MAPTBACE1
SCHEMBL7633012 0.81 MPO (0.54) MPOELANEMAPTSMN1; SMN2ALDH1A1
SCHEMBL8268146 0.81 HTR1A (0.48) MPOELANEMAPTNPC1RAB9A
SCHEMBL23740183 0.80 MAOB (0.56) MAPTSMN1; SMN2NPC1RAB9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774060-B2 Oxone-aceton mediated metal free preparation of syn-diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-09-15 US disclosed
US-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-16 US disclosed
WO-2014207766-A1 OXONE-ACETONE MEDIATED METAL FREE PREPARATION OF SYN-DIOLS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-31 WO disclosed
EP-1076644-B1 N-SUBSTITUTED AMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-06-23 EP disclosed
EP-1076644-A1 N-SUBSTITUTED AMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2001-02-21 EP disclosed
US-6140354-A FOR TREATMENT OF DISORDERS OR DISEASE STATES CAUSED BY EATING DISORDERS, OBESITY, BULIMIA NERVOSA, DIABETES, HYPERTENSION, MEMORY LOSS, EPILEPTIC SEIZURES, MIGRAINE, SLEEP DISTURBANCES, PAIN, SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-31 US disclosed
WO-1999055667-A1 N-SUBSTITUTED AMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-11-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols SQLE, OXER1, OXA1L MPO 1767/4885ELANE 4195/4885PTPN1 4743/4885
US-10774060-B2 Oxone-aceton mediated metal free preparation of syn-diols SQLE, OXER1, OXA1L MPO 1767/4885ELANE 4195/4885PTPN1 4743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.